(1S,3R,3aR,6aS)-5-[(2-chlorophenyl)methyl]-6',7'-dimethyl-1-propan-2-yl-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione

Systemtic Name: (1S,3R,3aR,6aS)-5-[(2-chlorophenyl)methyl]-6',7'-dimethyl-1-propan-2-yl-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione Openeye Name: (1S,3R,3aR,6aS)-5-[(2-chlorophenyl)methyl]-1-isopropyl-6',7'-dimethyl-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-2',4,6-trione CAS Name: (1S,3R,3aR,6aS)-5-[(2-chlorophenyl)methyl]-6',7'-dimethyl-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione IUPAC Name: (1S,3R,3aR,6aS)-5-[(2-chlorophenyl)methyl]-6',7'-dimethyl-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione Traditional Name: (1S,3R,3aR,6aS)-5-(2-chlorobenzyl)-1-isopropyl-6',7'-dimethyl-spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-2',4,6-trione Formula: C25H27ClN3O3+ MolecularWeight: 452.95318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C3(C4C(C([NH2+]3)C(C)C)C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2)C

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@@H]([NH2+]3)C(C)C)C(=O)N(C4=O)CC5=CC=CC=C5Cl)C(=O)N2)C

InChI

InChI=1S/C25H26ClN3O3/c1-12(2)20-18-19(23(31)29(22(18)30)11-15-7-5-6-8-17(15)26)25(28-20)16-10-9-13(3)14(4)21(16)27-24(25)32/h5-10,12,18-20,28H,11H2,1-4H3,(H,27,32)/p+1/t18-,19-,20-,25-/m0/s1